Analyte Name

Procaine benzylpenicillin hydrate

CAS Number

6130-64-9

Molecular Formula

C16 H18 N2 O4 S . C13 H20 N2 O2 . H2 O

Molecular Weight

588.72

Accurate Mass

588.2618

Flash Point

5

SMILES

O.CCN(CC)CCOC(=O)c1ccc(N)cc1.CC2(C)S[C@@H]3[C@H](NC(=O)Cc4ccccc4)C(=O)N3[C@H]2C(=O)O

InChI

InChI=1S/C16H18N2O4S.C13H20N2O2.H2O/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);5-8H,3-4,9-10,14H2,1-2H3;1H2/t11-,12+,14-;;/m1../s1

IUPAC

2-(diethylamino)ethyl 4-aminobenzoate;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydrate

Alternate CAS Number

Free base: 54-35-3

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

FRANCE

Tariff Code

29411000

Product Format

Neat

API Family

Benzylpenicillin Procaine Monohydrate (Penicillin G Procaine)

Analytical Method

Monograph only